1-[5-[(3,5-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

C14H16Cl3N3O2 — CID 120857455

IUPAC1-[5-[(3,5-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(COc3cc(Cl)cc(Cl)c3)n2)CCCC1
InChIInChI=1S/C14H15Cl2N3O2.ClH/c15-9-5-10(16)7-11(6-9)20-8-12-18-13(19-21-12)14(17)3-1-2-4-14;/h5-7H,1-4,8,17H2;1H
InChIKeyPTXRDWTUTZBJOO-UHFFFAOYSA-N
MW364.66 g/mol
LogP4.11
Rot. Bonds4

About 1-[5-[(3,5-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride

1-[5-[(3,5-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (PubChem CID 120857455) has the molecular formula C14H16Cl3N3O2 and a molecular weight of 364.66 g/mol. Its IUPAC name is 1-[5-[(3,5-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[(3,5-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
PubChem CID120857455
Molecular FormulaC14H16Cl3N3O2
Molecular Weight364.66 g/mol
Exact Mass363.03
IUPAC Name1-[5-[(3,5-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2noc(COc3cc(Cl)cc(Cl)c3)n2)CCCC1
InChIInChI=1S/C14H15Cl2N3O2.ClH/c15-9-5-10(16)7-11(6-9)20-8-12-18-13(19-21-12)14(17)3-1-2-4-14;/h5-7H,1-4,8,17H2;1H
InChIKeyPTXRDWTUTZBJOO-UHFFFAOYSA-N
XLogP4.11
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.66
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62229473
1-[5-[(4-chloro-3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851047
4-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methoxy]phenol;hydrochloride
CID 120854814
1-[5-[(4-phenylmethoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854824
1-[5-[(4-tert-butylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853869
1-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859393
1-[5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859398
1-[5-[(3-nitrophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854893
1-[5-[(3-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851731
1-[5-[(4-nitrophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861869
1-[5-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862308
[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-phenylmethanone
CID 120860952

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3,5-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[(3,5-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride (CID 120857455) is 1-[5-[(3,5-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[(3,5-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[(3,5-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is Cl.NC1(c2noc(COc3cc(Cl)cc(Cl)c3)n2)CCCC1.
What is the InChIKey of 1-[5-[(3,5-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
The InChIKey is PTXRDWTUTZBJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2.ClH/c15-9-5-10(16)7-11(6-9)20-8-12-18-13(19-21-12)14(17)3-1-2-4-14;/h5-7H,1-4,8,17H2;1H.
What are the key properties of 1-[5-[(3,5-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride?
1-[5-[(3,5-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride has a molecular weight of 364.66 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3,5-dichlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 120857455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).